1,3,7-trimethyl-8-(2-methylphenoxy)-9H-purin-7-ium-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-(2-methylphenoxy)-9H-purin-7-ium-2,6-dione Openeye Name: 1,3,7-trimethyl-8-(2-methylphenoxy)-9H-purin-7-ium-2,6-dione CAS Name: 1,3,7-trimethyl-8-(2-methylphenoxy)-9H-purin-7-ium-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-(2-methylphenoxy)-9H-purin-7-ium-2,6-dione Traditional Name: 1,3,7-trimethyl-8-(2-methylphenoxy)-9H-purin-7-ium-2,6-quinone Formula: C15H17N4O3+ MolecularWeight: 301.32048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC2=[N+](C3=C(N2)N(C(=O)N(C3=O)C)C)C

Isomeric SMILES

CC1=CC=CC=C1OC2=[N+](C3=C(N2)N(C(=O)N(C3=O)C)C)C

InChI

InChI=1S/C15H16N4O3/c1-9-7-5-6-8-10(9)22-14-16-12-11(17(14)2)13(20)19(4)15(21)18(12)3/h5-8H,1-4H3/p+1